N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C24H25N5O3 — CID 59496187

IUPACN-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C)c1
InChIInChI=1S/C24H25N5O3/c1-16-11-20(32-2)7-8-21(16)28-19-5-3-17(4-6-19)12-27-23(31)24(9-10-24)29-22(30)18-13-25-15-26-14-18/h3-8,11,13-15,28H,9-10,12H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyUNPDWFKISAGXAR-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.12
Rot. Bonds8

About N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 59496187) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
PubChem CID59496187
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C)c1
InChIInChI=1S/C24H25N5O3/c1-16-11-20(32-2)7-8-21(16)28-19-5-3-17(4-6-19)12-27-23(31)24(9-10-24)29-22(30)18-13-25-15-26-14-18/h3-8,11,13-15,28H,9-10,12H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyUNPDWFKISAGXAR-UHFFFAOYSA-N
XLogP3.12
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide
CID 91173666
N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496435
N-[1-[[4-[4-methylsulfonyl-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496190
N-[1-[[4-(4-carbamoylphenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232411
N-[1-[[4-(2-amino-4-methylphenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 89198786
N-[1-[[4-[4-(1-hydroxyethyl)-3-methoxyphenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 66792559
N-[4-[[4-[4-methoxy-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]oxan-4-yl]pyrimidine-5-carboxamide
CID 70846528
N-[1-[(2,6-dimethyl-4-phenoxyphenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232412
pyrimidin-5-yl N-[1-[[4-[4-propan-2-yloxy-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]cyclopropyl]carbamate
CID 67532688
N-[1-[[4-(2,4-dichlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25233474
methyl 4-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]phenoxy]-3-(trifluoromethyl)benzoate
CID 66792184
N-[1-[[4-(4-bromo-2-chlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 58487821

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 59496187) is N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is COc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)cc2)c(C)c1.
What is the InChIKey of N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is UNPDWFKISAGXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16-11-20(32-2)7-8-21(16)28-19-5-3-17(4-6-19)12-27-23(31)24(9-10-24)29-22(30)18-13-25-15-26-14-18/h3-8,11,13-15,28H,9-10,12H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59496187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).